sodium 5-nitro-2-[[4-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]amino]benzenesulfonate

Systemtic Name: sodium 5-nitro-2-[[4-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]amino]benzenesulfonate Openeye Name: sodium 5-nitro-2-[4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazino]anilino]benzenesulfonate CAS Name: sodium 5-nitro-2-[4-[2-(4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]anilino]benzenesulfonate IUPAC Name: sodium 5-nitro-2-[4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]anilino]benzenesulfonate Traditional Name: sodium 2-[4-[N'-(4-ketocyclohexa-2,5-dien-1-ylidene)hydrazino]anilino]-5-nitro-besylate Formula: C18H13N4NaO6S MolecularWeight: 436.37379

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=CC1=NNC2=CC=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=O)C=CC1=NNC2=CC=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H14N4O6S.Na/c23-16-8-5-14(6-9-16)21-20-13-3-1-12(2-4-13)19-17-10-7-15(22(24)25)11-18(17)29(26,27)28;/h1-11,19-20H,(H,26,27,28);/q;+1/p-1